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Isostructuralism in double complex salts series: [M(H2O)x(NH3)6−x] [M′(CN)6] and [M(H2O)x(NH3)6−x] [CuCl5] (M, M′ = Co(III), Cr(III); x = 0, 1, 2). Crystal structure of [Cr(H2O)(NH3)5] [CuCl5]

✍ Scribed by J. Pons; A. Solans; J.C. Bayon; E. Molins; J. Casabo; F. Palacio; F. Plana


Book ID
108324087
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
501 KB
Volume
169
Category
Article
ISSN
0020-1693

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Quantum mechanical ab initio calculations at the MP2 and CCSD(T) level of theory have been used to investigate the geometries and bond energies of the complexes M(CO) 6±x (H 2 ) x (M = Cr, Mo, W; x = 1, 2, 3). The theoretically predicted M(CO) 5 ±(H 2 ) bond dissociation energies are in excellent ag